(S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester | 913081-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester
• CAS: 913081-76-2
• 化学式: C₂₈H₂₈F₃NO₆
• 分子量: 531.529
• InChiKey: CQZDQUQZVZWVIT-DEOSSOPVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  38.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.09
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester 在 sodium tetrahydroborate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 lithium chloride 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成 Diisopropyl-phosphoramidous acid (S)-3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-[4-([2,2';6',2'']terpyridin-4'-yloxy)-butyrylamino]-propyl ester 2-cyano-ethyl ester
  参考文献：
  名称：

  Synthesis and Evaluation of RNA Transesterification Efficiency Using Stereospecific Serinol-Terpyridine Conjugates

  摘要：

  Six novel artificial ribonucleases were synthesized employing a stereochemically pure abasic serinol backbone residue for attachment of the RNA transesterification agent copper(II) terpyridine. These stereochemically pure abasic residues were synthesized as phosphoramidite building blocks from the parent L-serine and D-serine starting building blocks and incorporated into oligonucleotides via solid-phase DNA synthesis. These artificial ribonucleases were constructed to determine if the stereochemistry of the alpha carbon of an abasic serinol residue has influence over RNA transesterification through selective placement of a pendant transesterification agent in either the major or minor groove. The novel artificial ribonucleases and previously synthesized artificial ribonucleases were challenged with a 28-mer and 159-mer RNA substrate. It was determined that the stereochemistry of the carbon atom derived from the a-carbon of serine did not influence the extent of cleavage in these studies using copper(II) terpyridine conjugated artificial ribonucleases.

  DOI：

  10.1080/15257770500230426
• 作为产物：
  描述：

  丝氨酸乙酯 在 吡啶 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 (S)-3-[Bis-(4-methoxy-phenyl)-phenyl-methoxy]-2-(2,2,2-trifluoro-acetylamino)-propionic acid ethyl ester
  参考文献：
  名称：

  Synthesis and Evaluation of RNA Transesterification Efficiency Using Stereospecific Serinol-Terpyridine Conjugates

  摘要：

  Six novel artificial ribonucleases were synthesized employing a stereochemically pure abasic serinol backbone residue for attachment of the RNA transesterification agent copper(II) terpyridine. These stereochemically pure abasic residues were synthesized as phosphoramidite building blocks from the parent L-serine and D-serine starting building blocks and incorporated into oligonucleotides via solid-phase DNA synthesis. These artificial ribonucleases were constructed to determine if the stereochemistry of the alpha carbon of an abasic serinol residue has influence over RNA transesterification through selective placement of a pendant transesterification agent in either the major or minor groove. The novel artificial ribonucleases and previously synthesized artificial ribonucleases were challenged with a 28-mer and 159-mer RNA substrate. It was determined that the stereochemistry of the carbon atom derived from the a-carbon of serine did not influence the extent of cleavage in these studies using copper(II) terpyridine conjugated artificial ribonucleases.

  DOI：

  10.1080/15257770500230426